C,1,35.5,s,
N,2,,,
C,3,129.4,s,
C,4,123.6,s,
C,5,121.82,s,
C,6,123.5,s,
C,7,176.65,s,
O,8,,,
C,9,170.65,s,
O,10,,,
C,11,92.7,s,
C,12,154.5,s,
N,13,,,
C,14,41.5,s,
C,15,18.9,s,
H,16,4.27,s,
H,17,4.27,s,
H,18,4.27,s,
H,19,7.45,s,
H,20,6.44,s,
H,21,,,
H,22,3.11,ddd,"12.4,11.0,2.1"
H,23,3.11,ddd,"12.4,10.2,6.5"
H,24,2.9,ddd,"15.4,10.2,2.1"
H,25,2.9,ddd,"15.4,11.0,6.5"
